Focused On-demand Library for Sphingosine 1-phosphate receptor 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O95136

UPID:

S1PR2_HUMAN

Alternative names:

Endothelial differentiation G-protein coupled receptor 5; Sphingosine 1-phosphate receptor Edg-5

Alternative UPACC:

O95136; Q86UN8

Background:

The Sphingosine 1-phosphate receptor 2 (S1P receptor 2), also known as Endothelial differentiation G-protein coupled receptor 5, plays a pivotal role in various physiological processes. It functions as a receptor for the lysosphingolipid sphingosine 1-phosphate (S1P), facilitating diverse effects across cells and tissues. This receptor is involved in mediating cell proliferation and the suppression of apoptosis, showcasing its critical role in cellular signaling pathways.

Therapeutic significance:

S1P receptor 2's involvement in non-syndromic sensorineural hearing loss, specifically Deafness, autosomal recessive, 68, highlights its potential as a therapeutic target. Understanding the role of Sphingosine 1-phosphate receptor 2 could open doors to potential therapeutic strategies, offering hope for interventions in hearing loss and possibly other S1P-related conditions.